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6YXV
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FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH N-Methyl-N-{3-[(2-phenylamino-5-trifluoromethyl-pyrimidin-4-ylamino)-methyl]-pyridin-2-yl}-methanesulfonamide
分子名称: Focal adhesion kinase 1, SULFATE ION, ~{N}-methyl-~{N}-[3-[(~{E})-[2-phenylazanyl-5-(trifluoromethyl)pyrimidin-4-yl]iminomethyl]pyridin-2-yl]methanesulfonamide
著者Musil, D, Heinrich, T, Amaral, M.
登録日2020-05-04
公開日2021-02-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.298 Å)
主引用文献Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2.
Cell Chem Biol, 28, 2021
6YVY
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BU of 6yvy by Molmil
FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH 4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide
分子名称: 4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide, Focal adhesion kinase 1, SULFATE ION
著者Musil, D, Amaral, M.
登録日2020-04-28
公開日2021-02-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.918 Å)
主引用文献Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2.
Cell Chem Biol, 28, 2021
6IS8
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BU of 6is8 by Molmil
Crystal structure of ZmMoc1 D115N mutant in complex with Holliday junction
分子名称: DNA (33-MER), MAGNESIUM ION, Monokaryotic chloroplast 1, ...
著者Lin, Z, Lin, H, Zhang, D, Yuan, C.
登録日2018-11-15
公開日2019-10-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structural basis of sequence-specific Holliday junction cleavage by MOC1.
Nat.Chem.Biol., 15, 2019
6YVS
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BU of 6yvs by Molmil
FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH 5-{4-[(Pyridin-3-ylmethyl)-amino]-5-trifluoromethyl-pyrimidin-2-ylamino}-1,3-dihydro-indol-2-one
分子名称: 5-[[4-(pyridin-3-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one, Focal adhesion kinase 1, SULFATE ION
著者Musil, D, Heinrich, T, Amaral, M.
登録日2020-04-28
公開日2021-02-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2.
Cell Chem Biol, 28, 2021
1KFZ
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BU of 1kfz by Molmil
Solution Structure of C-terminal Sem-5 SH3 Domain (Ensemble of 16 Structures)
分子名称: SEX MUSCLE ABNORMAL PROTEIN 5
著者Ferreon, J.C, Volk, D.E, Luxon, B.A, Gorenstein, D, Hilser, V.J.
登録日2001-11-24
公開日2003-05-20
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution Structure, Dynamics and Thermodynamics of the Native State Ensemble of Sem-5 C-Terminal SH3 Domain
Biochemistry, 42, 2003
1KHB
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BU of 1khb by Molmil
PEPCK complex with nonhydrolyzable GTP analog, native data
分子名称: 1,2-ETHANEDIOL, ACETATE ION, MANGANESE (II) ION, ...
著者Dunten, P, Belunis, C, Crowther, R, Hollfelder, K, Kammlott, U, Levin, W, Michel, H, Ramsey, G.B, Swain, A, Weber, D, Wertheimer, S.J.
登録日2001-11-29
公開日2002-02-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.854 Å)
主引用文献Crystal structure of human cytosolic phosphoenolpyruvate carboxykinase reveals a new GTP-binding site.
J.Mol.Biol., 316, 2002
5CNB
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BU of 5cnb by Molmil
Ultrafast dynamics in myoglobin: 0.5 ps time delay
分子名称: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I.
登録日2015-07-17
公開日2015-09-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
6I1H
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BU of 6i1h by Molmil
Crystal structure of TP domain from Chlamydia trachomatis Penicillin-Binding Protein 3 in complex with meropenem
分子名称: (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, Penicillin-binding protein,Penicillin-binding protein
著者Bellini, D, Koekemoer, L, Newman, H, Dowson, C.G.
登録日2018-10-28
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Crystal structure of TP domain from Chlamydia trachomatis Penicillin-Binding Protein 3 in complex with meropenem
To Be Published
6IIE
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BU of 6iie by Molmil
Crystal structure of human diacylglycerol kinase alpha EF-hand domains bound to Ca2+
分子名称: CALCIUM ION, Diacylglycerol kinase alpha, GLYCEROL, ...
著者Takahashi, D, Suzuki, K, Sakamoto, T, Iwamoto, T, Murata, T, Sakane, F.
登録日2018-10-04
公開日2019-02-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.142 Å)
主引用文献Crystal structure and calcium-induced conformational changes of diacylglycerol kinase alpha EF-hand domains.
Protein Sci., 28, 2019
1KVB
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BU of 1kvb by Molmil
E. COLI RIBONUCLEASE HI D134H MUTANT
分子名称: RIBONUCLEASE H
著者Kashiwagi, T, Jeanteur, D, Haruki, M, Katayanagi, K, Kanaya, S, Morikawa, K.
登録日1996-10-04
公開日1997-03-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Proposal for new catalytic roles for two invariant residues in Escherichia coli ribonuclease HI.
Protein Eng., 9, 1996
5CM2
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BU of 5cm2 by Molmil
Structure of Y. lipolytica Trm9-Trm112 complex, a methyltransferase modifying U34 in the anticodon loop of some tRNAs
分子名称: TRNA METHYLTRANSFERASE, TRNA METHYLTRANSFERASE ACTIVATOR SUBUNIT, ZINC ION
著者Letoquart, J, van Tran, N, Caroline, V, Aleksandrov, A, Lazar, N, Van Tilbeurgh, H, Liger, D, Graille, M.
登録日2015-07-16
公開日2015-10-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Insights into molecular plasticity in protein complexes from Trm9-Trm112 tRNA modifying enzyme crystal structure.
Nucleic Acids Res., 43, 2015
5CNG
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ultrafast dynamics in myoglobin: 150 ps time delay
分子名称: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I.
登録日2015-07-17
公開日2015-09-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
6ZF6
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BU of 6zf6 by Molmil
Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction
分子名称: 1-[3-[2-hydroxy-2-oxoethyl(phenylsulfonyl)amino]phenyl]-5-[(1~{S},2~{S})-2-phenylcyclopropyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ...
著者Narayanan, D, Bach, A, Gajhede, M.
登録日2020-06-16
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
5CN9
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BU of 5cn9 by Molmil
Ultrafast dynamics in myoglobin: 0.4 ps time delay
分子名称: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I.
登録日2015-07-17
公開日2015-09-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
6ZEZ
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BU of 6zez by Molmil
Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction
分子名称: 1-[3-[(1~{R},3~{S})-3-[(2~{S})-2-butylpyrrolidin-1-yl]carbonylcyclohexyl]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid, Kelch-like ECH-associated protein 1
著者Narayanan, D, Bach, A, Gajhede, M.
登録日2020-06-16
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
6ZEY
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BU of 6zey by Molmil
Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction
分子名称: 5-cyclopropyl-1-[3-(phenylsulfonylamino)phenyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1
著者Narayanan, D, Bach, A, Gajhede, M.
登録日2020-06-16
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
6ZF8
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Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction
分子名称: 1-[3-[2-hydroxy-2-oxoethyl-(3-methoxyphenyl)sulfonyl-amino]phenyl]-5-[(1~{S},2~{S})-2-phenylcyclopropyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ...
著者Narayanan, D, Bach, A, Gajhede, M.
登録日2020-06-16
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
6ZEX
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Keap1 kelch domain bound to a small molecule fragment
分子名称: 5-cyclopropyl-1-phenyl-pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1
著者Narayanan, D, Bach, A, Gajhede, M.
登録日2020-06-16
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
6ZF1
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BU of 6zf1 by Molmil
Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction
分子名称: 5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl(phenylsulfonyl)amino]phenyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ...
著者Narayanan, D, Bach, A, Gajhede, M.
登録日2020-06-16
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
6I19
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Crystal structure of Chlamydomonas reinhardtii thioredoxin h1
分子名称: Thioredoxin H-type
著者Lemaire, S.D, Tedesco, D, Crozet, P, Michelet, L, Fermani, S, Zaffagnini, M, Henri, J.
登録日2018-10-27
公開日2018-12-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.378 Å)
主引用文献Crystal Structure of Chloroplastic Thioredoxin f2 fromChlamydomonas reinhardtiiReveals Distinct Surface Properties.
Antioxidants (Basel), 7, 2018
6ZF2
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Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction
分子名称: 5-cyclopropyl-1-[3-[(4-propylphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ...
著者Narayanan, D, Bach, A, Gajhede, M.
登録日2020-06-16
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
6I1E
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BU of 6i1e by Molmil
Crystal structure of Pseudomonas aeruginosa Penicillin-Binding Protein 3 in complex with amoxicillin
分子名称: 2-{1-[2-AMINO-2-(4-HYDROXY-PHENYL)-ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, Peptidoglycan D,D-transpeptidase FtsI
著者Bellini, D, Dowson, C.G.
登録日2018-10-28
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Novel and Improved Crystal Structures of H. influenzae, E. coli and P. aeruginosa Penicillin-Binding Protein 3 (PBP3) and N. gonorrhoeae PBP2: Toward a Better Understanding of beta-Lactam Target-Mediated Resistance.
J.Mol.Biol., 431, 2019
6ZF5
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Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction
分子名称: 1-[3-[(4-butylphenyl)sulfonyl-(2-hydroxy-2-oxoethyl)amino]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ...
著者Narayanan, D, Bach, A, Gajhede, M.
登録日2020-06-16
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
5C82
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Crystal structure of Nourseothricin acetyltransferase
分子名称: D(-)-TARTARIC ACID, Nourseothricin acetyltransferase
著者Kumar, D, Ghosh, A, Taneja, B, Chakraborty, K.
登録日2015-06-25
公開日2016-06-29
最終更新日2018-07-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of Nourseothricin acetyltransferase
To Be Published
6ZF3
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Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction
分子名称: DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, SULFATE ION, ...
著者Narayanan, D, Bach, A, Gajhede, M.
登録日2020-06-16
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021

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